#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djc s ILE 2 N 0.00 3.71 -0.22 -0.08 -1.16 -0.95 -2.19 121.20 120.31 3djc s ILE 2 Ca 0.00 -0.51 -0.04 0.00 -0.51 0.00 0.00 60.65 59.59 3djc s ILE 2 Cb 0.00 -2.53 -0.01 0.00 0.61 0.00 0.00 42.46 40.53 3djc s ILE 2 CO 0.00 0.58 -0.02 -0.22 -2.81 0.00 0.00 174.94 172.46 3djc s LEU 3 N -0.88 3.02 -0.22 8.50 2.96 -0.78 -0.92 118.68 130.35 3djc s LEU 3 Ca 0.13 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3djc s LEU 3 Cb -0.11 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3djc s LEU 3 CO 0.02 -0.01 0.05 0.00 -1.32 0.00 0.00 176.35 175.09 3djc s ILE 5 N 1.16 3.89 -0.10 0.00 1.01 0.16 -2.30 121.20 125.02 3djc s ILE 5 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3djc s ILE 5 Cb -0.14 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3djc s ILE 5 CO 0.03 0.50 -0.06 -0.62 0.00 0.00 0.00 174.94 174.79 3djc s ASP 6 N 0.27 4.65 -0.57 3.58 2.15 0.85 0.68 116.67 128.28 3djc s ASP 6 Ca -0.03 -0.07 -0.02 0.00 0.43 0.00 0.00 52.55 52.86 3djc s ASP 6 Cb -0.14 -1.37 0.15 0.00 -0.30 0.00 0.00 42.92 41.26 3djc s ASP 6 CO 0.03 0.30 0.37 -0.69 -0.17 0.00 0.00 175.17 175.01 3djc s VAL 7 N -0.43 3.55 0.64 1.11 1.01 -0.41 -0.61 120.40 125.26 3djc s VAL 7 Ca 0.06 -2.76 -0.04 0.00 0.00 0.00 0.00 61.98 59.24 3djc s VAL 7 Cb -0.12 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.96 3djc s VAL 7 CO 0.02 -0.83 0.92 -0.83 0.00 0.00 0.00 175.10 174.39 3djc s GLY 8 N 0.91 1.71 0.43 4.51 0.00 -0.10 -2.30 107.32 112.49 3djc s GLY 8 Ca 0.15 -1.02 0.22 0.00 0.00 0.00 0.00 44.72 44.08 3djc s GLY 8 CO -0.03 -0.66 1.83 3.43 0.00 0.00 0.00 173.10 177.66 3djc h ASN 9 N -0.34 0.00 0.01 1.64 2.35 -1.96 -3.29 115.58 113.99 3djc h ASN 9 Ca -0.44 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.02 3djc h ASN 9 Cb 1.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.63 3djc h ASN 9 CO 0.58 0.26 -1.57 -1.54 -1.65 0.00 0.00 177.43 173.52 3djc n SER 10 N -3.49 1.90 -4.06 5.81 3.41 -1.26 -4.78 113.62 111.15 3djc n SER 10 Ca -0.00 0.38 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 3djc n SER 10 Cb 0.43 -0.92 -0.11 0.00 -0.26 0.00 0.00 64.21 63.34 3djc n SER 10 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3djc s HIS 11 N -2.41 0.58 -0.28 7.33 3.76 -1.24 -3.24 115.29 119.79 3djc s HIS 11 Ca -0.30 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 53.77 3djc s HIS 11 Cb 0.07 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 3djc s HIS 11 CO 0.59 -0.15 0.64 0.42 -0.85 0.00 0.00 174.74 175.39 3djc s ILE 12 N -2.02 4.95 -0.18 0.60 1.01 0.26 -0.92 121.20 124.89 3djc s ILE 12 Ca -0.06 0.99 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 3djc s ILE 12 Cb -0.06 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 3djc s ILE 12 CO -0.02 -0.08 -0.09 -0.47 0.00 0.00 0.00 174.94 174.28 3djc s TYR 13 N 2.59 2.89 0.21 3.97 5.04 0.22 -0.50 117.35 131.77 3djc s TYR 13 Ca 0.26 -0.92 0.09 0.00 -2.44 0.00 0.00 57.07 54.06 3djc s TYR 13 Cb -0.15 -2.00 -0.05 0.00 0.35 0.00 0.00 41.96 40.12 3djc s TYR 13 CO 0.10 -0.46 -0.18 0.20 -1.34 0.00 0.00 175.55 173.87 3djc s GLY 14 N 1.07 1.56 -0.29 8.97 0.00 -0.88 -0.11 107.32 117.64 3djc s GLY 14 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3djc s GLY 14 CO -0.02 -1.73 0.76 -0.32 0.00 0.00 0.00 173.10 171.80 3djc s GLY 15 N -3.09 -0.52 -0.29 0.20 0.00 -0.97 -1.19 107.32 101.46 3djc s GLY 15 Ca 0.22 2.60 -0.18 0.00 0.00 0.00 0.00 44.72 47.36 3djc s GLY 15 CO 0.09 2.89 0.51 0.54 0.00 0.00 0.00 173.10 177.13 3djc s VAL 16 N 2.34 5.06 -0.16 1.40 0.11 0.15 -2.26 120.40 127.03 3djc s VAL 16 Ca -0.07 0.72 -0.19 0.00 -2.93 0.00 0.00 61.98 59.51 3djc s VAL 16 Cb -0.08 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 3djc s VAL 16 CO -0.18 0.01 0.53 -0.36 -3.33 0.00 0.00 175.10 171.76 3djc s PHE 17 N 2.33 3.44 -1.29 1.54 0.40 -0.10 0.16 117.98 124.46 3djc s PHE 17 Ca 0.20 0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 57.25 3djc s PHE 17 Cb -0.16 -2.65 0.11 0.00 0.51 0.00 0.00 43.02 40.83 3djc s PHE 17 CO 0.10 0.00 1.71 -3.47 0.70 0.00 0.00 175.22 174.26 3djc n ASP 18 N 4.33 4.93 0.00 1.36 4.64 0.10 -2.23 116.55 129.69 3djc n ASP 18 Ca -0.05 -2.95 0.00 0.00 -1.38 0.00 0.00 54.79 50.41 3djc n ASP 18 Cb 0.51 -1.66 0.00 0.00 -1.04 0.00 0.00 41.12 38.93 3djc n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3djc n GLY 19 N 4.59 1.77 0.01 0.27 0.00 -1.26 -3.36 105.19 107.21 3djc n GLY 19 Ca 0.44 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.65 3djc n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3djc n ASP 20 N 5.06 2.66 -4.57 1.61 8.00 -1.26 -4.94 116.55 123.11 3djc n ASP 20 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 3djc n ASP 20 Cb 0.00 1.31 -0.11 0.00 -0.02 0.00 0.00 41.12 42.31 3djc n ASP 20 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3djc s GLU 21 N -2.61 2.47 -0.38 -1.24 -1.05 -1.21 -5.08 118.70 109.60 3djc s GLU 21 Ca -0.04 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.74 3djc s GLU 21 Cb 0.06 -2.44 0.02 0.00 -0.44 0.00 0.00 34.13 31.32 3djc s GLU 21 CO 0.42 0.59 1.00 0.42 0.95 0.00 0.00 175.26 178.64 3djc s ILE 22 N -0.98 4.49 0.13 1.83 1.01 -1.26 0.03 121.20 126.44 3djc s ILE 22 Ca 0.17 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.03 3djc s ILE 22 Cb -0.11 -4.41 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 3djc s ILE 22 CO 0.07 -0.62 1.42 0.50 0.00 0.00 0.00 174.94 176.31 3djc h LYS 23 N 8.53 0.88 -2.07 2.79 3.64 -0.62 -3.47 116.57 126.26 3djc h LYS 23 Ca -0.22 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 58.55 3djc h LYS 23 Cb 1.07 0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 32.75 3djc h LYS 23 CO 1.02 1.18 0.14 -1.17 -2.27 0.00 0.00 179.45 178.35 3djc s LEU 24 N -8.71 -0.58 0.17 5.20 2.96 -1.20 -5.02 118.68 111.49 3djc s LEU 24 Ca -0.11 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 3djc s LEU 24 Cb 0.10 2.43 -0.04 0.00 0.50 0.00 0.00 46.19 49.18 3djc s LEU 24 CO 0.89 -0.48 -0.14 0.00 -1.32 0.00 0.00 176.35 175.30 3djc s ARG 25 N -0.70 1.18 0.35 1.98 3.03 -1.26 -0.68 118.95 122.86 3djc s ARG 25 Ca -0.08 -1.45 -0.09 0.00 2.03 0.00 0.00 55.73 56.14 3djc s ARG 25 Cb -0.02 -0.97 0.02 0.00 -1.03 0.00 0.00 34.95 32.96 3djc s ARG 25 CO 0.07 0.17 0.62 -0.59 -1.13 0.00 0.00 175.30 174.43 3djc s PHE 26 N -2.74 0.57 -0.16 5.89 -0.71 -0.34 -4.97 117.98 115.52 3djc s PHE 26 Ca 0.17 -1.00 -0.14 0.00 -1.04 0.00 0.00 56.93 54.92 3djc s PHE 26 Cb -0.02 0.35 0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3djc s PHE 26 CO 0.04 -1.31 0.42 0.50 -1.34 0.00 0.00 175.22 173.53 3djc s ARG 27 N -2.86 0.47 -0.01 1.99 3.52 -1.26 -2.07 118.95 118.73 3djc s ARG 27 Ca 0.23 0.61 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 3djc s ARG 27 Cb -0.03 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 3djc s ARG 27 CO 0.15 -0.07 -0.12 -1.58 -0.81 0.00 0.00 175.30 172.87 3djc s HIS 28 N 0.41 1.08 -0.06 5.12 5.65 0.34 -4.98 115.29 122.86 3djc s HIS 28 Ca -0.02 -0.22 -0.30 0.00 0.25 0.00 0.00 55.06 54.78 3djc s HIS 28 Cb -0.04 -0.71 -0.05 0.00 -1.18 0.00 0.00 32.58 30.60 3djc s HIS 28 CO -0.02 -0.04 1.63 0.99 -0.65 0.00 0.00 174.74 176.66 3djc s THR 29 N -0.19 3.62 -0.78 0.89 2.01 -1.26 0.91 115.64 120.84 3djc s THR 29 Ca 0.03 0.75 -0.25 0.00 0.31 0.00 0.00 61.69 62.53 3djc s THR 29 Cb -0.06 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3djc s THR 29 CO -0.00 -0.07 2.10 -0.94 -0.69 0.00 0.00 174.62 175.02 3djc s SER 30 N 3.25 4.76 0.23 3.53 1.04 -1.20 -4.78 113.70 120.54 3djc s SER 30 Ca 0.72 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 57.08 3djc s SER 30 Cb -0.33 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.20 3djc s SER 30 CO 0.29 -2.99 -0.04 -0.75 0.98 0.00 0.00 173.24 170.73 3djc s LYS 31 N 7.64 1.37 -0.93 4.02 2.47 -1.26 -4.92 119.74 128.12 3djc s LYS 31 Ca 0.78 -1.68 -0.24 0.00 -1.56 0.00 0.00 55.97 53.27 3djc s LYS 31 Cb -0.10 -0.81 -0.06 0.00 -1.46 0.00 0.00 37.83 35.40 3djc s LYS 31 CO 0.08 -0.02 1.96 0.54 0.16 0.00 0.00 175.35 178.07 3djc s VAL 32 N -3.26 3.44 0.55 4.02 0.11 -1.26 -4.89 120.40 119.12 3djc s VAL 32 Ca 0.27 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 3djc s VAL 32 Cb 0.04 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.90 3djc s VAL 32 CO 0.09 -0.92 0.77 -0.44 -3.33 0.00 0.00 175.10 171.26 3djc s SER 33 N 7.96 5.22 0.46 3.54 0.01 -1.26 -5.13 113.70 124.51 3djc s SER 33 Ca 0.71 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.86 3djc s SER 33 Cb -0.06 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.51 3djc s SER 33 CO 0.01 -1.17 0.63 0.42 0.41 0.00 0.00 173.24 173.54 3djc s THR 34 N -2.73 2.88 -0.04 1.44 -4.23 -1.26 -4.88 115.64 106.81 3djc s THR 34 Ca 0.58 -0.91 0.28 0.00 -1.18 0.00 0.00 61.69 60.46 3djc s THR 34 Cb -0.09 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3djc s THR 34 CO 0.38 0.00 1.85 0.28 -0.54 0.00 0.00 174.62 176.59 3djc h SER 35 N 0.47 0.00 0.00 3.99 0.02 -1.96 -2.81 113.55 113.27 3djc h SER 35 Ca -0.40 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.28 3djc h SER 35 Cb 1.28 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 3djc h SER 35 CO 0.47 0.00 -2.00 0.47 -1.14 0.00 0.00 176.83 174.62 3djc n ASP 36 N -2.49 1.96 -0.09 3.07 8.00 -1.26 -3.69 116.55 122.05 3djc n ASP 36 Ca -0.01 -0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 3djc n ASP 36 Cb 0.10 0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 3djc n ASP 36 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3djc h GLU 37 N 0.00 0.41 -0.74 -1.24 5.08 -1.93 -2.43 114.58 113.73 3djc h GLU 37 Ca -0.40 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 3djc h GLU 37 Cb 1.77 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 3djc h GLU 37 CO -0.02 0.39 0.26 -0.07 -1.00 0.00 0.00 179.01 178.57 3djc h LEU 38 N 0.33 1.05 -1.43 1.33 3.38 -1.72 -2.86 115.31 115.39 3djc h LEU 38 Ca 0.10 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3djc h LEU 38 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3djc h LEU 38 CO -0.01 0.96 -0.27 1.23 0.09 0.00 0.00 178.44 180.44 3djc h GLY 39 N 1.08 0.00 0.31 0.83 0.00 -1.62 -2.45 103.07 101.23 3djc h GLY 39 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3djc h GLY 39 CO -0.01 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.30 3djc h ILE 40 N 0.00 1.46 -0.30 2.60 1.08 -1.31 -3.20 117.51 117.84 3djc h ILE 40 Ca -0.00 -1.57 0.04 0.00 -0.39 0.00 0.00 64.86 62.94 3djc h ILE 40 Cb 0.58 2.50 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 3djc h ILE 40 CO 0.03 0.40 0.05 0.15 -0.69 0.00 0.00 178.15 178.09 3djc h PHE 41 N -0.72 0.08 -0.67 1.37 3.57 -1.44 -0.49 116.94 118.65 3djc h PHE 41 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3djc h PHE 41 Cb 0.67 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3djc h PHE 41 CO 0.16 0.01 0.40 -0.07 -2.23 0.00 0.00 178.31 176.58 3djc h LEU 42 N 0.16 0.80 -0.14 0.59 3.38 -1.58 0.38 115.31 118.90 3djc h LEU 42 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3djc h LEU 42 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3djc h LEU 42 CO -0.19 0.63 0.00 0.11 0.09 0.00 0.00 178.44 179.07 3djc h LYS 43 N 0.91 0.00 0.02 1.13 1.57 -1.52 -3.15 116.57 115.53 3djc h LYS 43 Ca 0.24 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 3djc h LYS 43 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3djc h LYS 43 CO -0.04 0.00 -1.18 1.03 -0.57 0.00 0.00 179.45 178.68 3djc h SER 44 N 0.00 0.05 -0.12 0.86 0.87 -0.54 -3.21 113.55 111.46 3djc h SER 44 Ca 0.00 -0.62 0.04 0.00 -1.23 0.00 0.00 61.79 59.98 3djc h SER 44 Cb 0.81 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 3djc h SER 44 CO 0.00 1.47 0.09 1.62 -0.53 0.00 0.00 176.83 179.48 3djc h VAL 45 N -0.88 0.89 -0.01 2.23 3.04 -0.38 -0.34 116.25 120.79 3djc h VAL 45 Ca -0.31 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 3djc h VAL 45 Cb 1.35 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 3djc h VAL 45 CO -0.15 0.00 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.25 3djc h LEU 46 N 0.00 0.10 -0.93 3.16 3.38 -1.73 -3.22 115.31 116.07 3djc h LEU 46 Ca 0.06 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 3djc h LEU 46 Cb 0.24 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3djc h LEU 46 CO -0.00 0.81 0.35 -0.09 0.09 0.00 0.00 178.44 179.60 3djc h ARG 47 N -0.60 1.12 0.00 1.13 2.43 -1.28 -2.12 114.38 115.05 3djc h ARG 47 Ca -0.01 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3djc h ARG 47 Cb 0.81 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3djc h ARG 47 CO 0.02 0.88 -0.15 0.93 -1.51 0.00 0.00 179.97 180.14 3djc h GLU 48 N 1.11 0.00 -0.97 0.20 4.39 -1.25 -3.26 114.58 114.79 3djc h GLU 48 Ca 0.26 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.35 3djc h GLU 48 Cb 0.14 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.50 3djc h GLU 48 CO -0.03 0.15 0.72 0.09 -1.16 0.00 0.00 179.01 178.78 3djc n ASN 49 N -3.18 6.41 -2.40 1.42 3.02 -0.90 -4.93 115.26 114.71 3djc n ASN 49 Ca 0.02 -3.74 -0.20 0.00 -0.03 0.00 0.00 54.58 50.63 3djc n ASN 49 Cb 0.51 -0.91 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 3djc n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3djc n ASN 50 N -0.98 -5.73 -3.67 6.41 5.03 -1.21 -4.98 115.26 110.13 3djc n ASN 50 Ca 0.61 0.01 -0.28 0.00 0.87 0.00 0.00 54.58 55.78 3djc n ASN 50 Cb 0.95 -4.78 -0.16 0.00 -1.02 0.00 0.00 39.78 34.78 3djc n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djc s SER 52 N 1.90 6.60 0.65 0.00 0.15 -1.26 -3.15 113.70 118.58 3djc s SER 52 Ca 0.04 2.68 0.34 0.00 0.70 0.00 0.00 55.95 59.71 3djc s SER 52 Cb -0.17 -2.61 1.87 0.00 -1.71 0.00 0.00 66.02 63.40 3djc s SER 52 CO -0.18 -0.77 2.09 -0.65 1.20 0.00 0.00 173.24 174.92 3djc h PRO 53 N 5.62 0.00 0.00 5.44 0.11 -1.89 -2.19 132.00 139.09 3djc h PRO 53 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 3djc h PRO 53 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3djc h PRO 53 CO 0.83 0.00 -0.52 0.93 -0.21 0.00 0.00 178.00 179.03 3djc h GLU 54 N 0.00 0.00 0.00 1.05 3.07 -1.99 -3.27 114.58 113.44 3djc h GLU 54 Ca 0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3djc h GLU 54 Cb 0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3djc h GLU 54 CO -0.00 0.49 -0.01 1.15 -1.40 0.00 0.00 179.01 179.24 3djc h THR 55 N 0.00 0.03 -2.92 1.13 2.02 -1.78 -3.42 112.91 107.98 3djc h THR 55 Ca -0.01 -0.53 -0.54 0.00 0.77 0.00 0.00 66.41 66.10 3djc h THR 55 Cb 1.39 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3djc h THR 55 CO 0.06 0.01 0.82 -0.63 0.37 0.00 0.00 175.52 176.15 3djc s ILE 56 N -3.68 3.60 -0.21 3.11 -1.09 -1.24 -4.36 121.20 117.33 3djc s ILE 56 Ca 0.01 1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 59.40 3djc s ILE 56 Cb 0.09 -3.67 -0.11 0.00 -1.58 0.00 0.00 42.46 37.20 3djc s ILE 56 CO 0.55 0.01 -0.24 -1.14 -1.23 0.00 0.00 174.94 172.89 3djc n ARG 57 N 5.09 0.47 -4.46 2.79 3.00 -0.93 -5.04 116.66 117.59 3djc n ARG 57 Ca 0.13 0.17 -0.23 0.00 -0.00 0.00 0.00 57.85 57.92 3djc n ARG 57 Cb 0.43 -1.31 -0.10 0.00 0.00 0.00 0.00 32.46 31.48 3djc n ARG 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3djc s LYS 58 N -2.40 1.63 0.00 -0.14 1.02 -1.21 -4.95 119.74 113.69 3djc s LYS 58 Ca -0.29 -1.76 0.01 0.00 0.02 0.00 0.00 55.97 53.95 3djc s LYS 58 Cb 0.10 -1.63 -0.00 0.00 -0.52 0.00 0.00 37.83 35.78 3djc s LYS 58 CO 0.41 0.27 -0.03 0.42 -0.92 0.00 0.00 175.35 175.50 3djc s ILE 59 N -2.62 0.22 -0.07 2.17 1.01 -1.26 -1.86 121.20 118.79 3djc s ILE 59 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 3djc s ILE 59 Cb -0.03 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.26 3djc s ILE 59 CO 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 174.94 175.09 3djc s ALA 60 N -0.15 0.70 -0.20 9.38 0.00 0.15 -1.09 121.76 130.54 3djc s ALA 60 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 3djc s ALA 60 Cb -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3djc s ALA 60 CO -0.00 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 175.80 3djc s ILE 61 N 1.71 3.64 -0.02 0.00 1.01 0.90 0.35 121.20 128.79 3djc s ILE 61 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 3djc s ILE 61 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3djc s ILE 61 CO -0.04 0.43 0.20 0.00 0.00 0.00 0.00 174.94 175.53 3djc s SER 63 N -1.76 -0.20 0.00 0.00 1.04 -1.26 -1.29 113.70 110.24 3djc s SER 63 Ca 0.26 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.08 3djc s SER 63 Cb -0.13 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3djc s SER 63 CO 0.16 -0.09 0.00 0.55 0.98 0.00 0.00 173.24 174.84 3djc n VAL 64 N 3.35 0.00 -3.74 5.02 3.14 -0.97 -3.79 118.33 121.34 3djc n VAL 64 Ca -0.17 -0.18 -0.37 0.00 -2.96 0.00 0.00 64.34 60.67 3djc n VAL 64 Cb 0.57 0.93 -0.11 0.00 -1.06 0.00 0.00 33.84 34.17 3djc n VAL 64 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3djc s VAL 65 N -0.42 3.47 0.15 1.55 1.01 -1.24 -4.97 120.40 119.95 3djc s VAL 65 Ca 0.00 -1.92 0.27 0.00 0.00 0.00 0.00 61.98 60.33 3djc s VAL 65 Cb 0.00 -3.32 0.29 0.00 0.00 0.00 0.00 36.38 33.35 3djc s VAL 65 CO 0.00 -0.65 1.90 -0.65 0.00 0.00 0.00 175.10 175.70 3djc h PRO 66 N 8.13 0.00 0.00 2.72 0.11 -1.95 -2.98 132.00 138.03 3djc h PRO 66 Ca -0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 3djc h PRO 66 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3djc h PRO 66 CO 0.71 0.15 -0.14 1.96 -0.21 0.00 0.00 178.00 180.48 3djc h GLN 67 N 0.00 0.00 0.00 1.05 4.20 -2.01 -2.82 115.11 115.52 3djc h GLN 67 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3djc h GLN 67 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3djc h GLN 67 CO 0.02 0.14 -0.60 0.28 -0.67 0.00 0.00 178.83 178.00 3djc h VAL 68 N 0.00 0.00 -0.45 -0.54 2.07 -1.86 -3.41 116.25 112.06 3djc h VAL 68 Ca -0.00 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3djc h VAL 68 Cb 0.79 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3djc h VAL 68 CO 0.02 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 177.99 3djc h ASP 69 N 0.00 0.83 -0.73 0.57 5.19 -1.56 -2.98 116.42 117.74 3djc h ASP 69 Ca 0.00 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 3djc h ASP 69 Cb 0.75 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3djc h ASP 69 CO 0.00 0.97 0.29 0.22 -3.12 0.00 0.00 179.24 177.60 3djc h TYR 70 N 0.67 1.10 0.00 4.55 3.20 -1.79 -2.49 116.97 122.21 3djc h TYR 70 Ca 0.12 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3djc h TYR 70 Cb 0.58 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3djc h TYR 70 CO 0.04 0.85 -1.08 0.43 -1.64 0.00 0.00 178.16 176.76 3djc n SER 71 N -4.35 0.86 0.08 -2.11 7.64 -1.24 -2.52 113.62 111.97 3djc n SER 71 Ca 0.06 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.14 3djc n SER 71 Cb 0.18 0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 3djc n SER 71 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3djc h LEU 72 N 0.00 0.47 -0.66 -3.43 5.85 -1.50 -0.33 115.31 115.71 3djc h LEU 72 Ca -0.03 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 3djc h LEU 72 Cb 1.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3djc h LEU 72 CO 0.01 1.26 0.09 -0.09 -0.34 0.00 0.00 178.44 179.37 3djc h ARG 73 N 0.16 1.10 -0.03 1.25 2.43 -1.54 -3.05 114.38 114.70 3djc h ARG 73 Ca -0.10 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.66 3djc h ARG 73 Cb 1.72 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 3djc h ARG 73 CO 0.18 1.02 -0.46 1.03 -1.51 0.00 0.00 179.97 180.22 3djc h SER 74 N 1.02 0.07 0.53 -3.80 0.87 -1.44 -2.87 113.55 107.93 3djc h SER 74 Ca 0.20 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3djc h SER 74 Cb 0.46 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3djc h SER 74 CO 0.02 0.53 -0.12 0.00 -0.53 0.00 0.00 176.83 176.73 3djc h ALA 75 N 1.47 1.17 0.07 6.23 0.00 -0.95 -2.43 119.26 124.82 3djc h ALA 75 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 3djc h ALA 75 Cb 0.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3djc h ALA 75 CO 0.06 0.15 -1.10 0.00 0.00 0.00 0.00 179.25 178.37 3djc h VAL 77 N -0.60 1.28 0.00 0.00 -1.51 -1.39 -0.49 116.25 113.54 3djc h VAL 77 Ca -0.25 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 63.84 3djc h VAL 77 Cb 1.51 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3djc h VAL 77 CO -0.01 0.45 -0.00 0.50 -1.23 0.00 0.00 177.57 177.28 3djc h LYS 78 N 0.59 -0.00 0.00 5.19 3.64 -1.61 -3.14 116.57 121.24 3djc h LYS 78 Ca 0.08 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 3djc h LYS 78 Cb 0.76 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 3djc h LYS 78 CO 0.06 0.84 -1.88 0.66 -2.27 0.00 0.00 179.45 176.86 3djc n TYR 79 N -4.68 0.53 0.35 1.91 4.01 -1.14 -4.36 117.16 113.77 3djc n TYR 79 Ca -0.09 0.18 0.06 0.00 -0.16 0.00 0.00 57.90 57.88 3djc n TYR 79 Cb 0.41 -1.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.36 3djc n TYR 79 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3djc n PHE 80 N -2.80 0.00 -2.37 -0.72 3.01 -0.64 -5.00 117.46 108.94 3djc n PHE 80 Ca -0.19 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.06 3djc n PHE 80 Cb 0.96 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 40.32 3djc n PHE 80 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3djc n SER 81 N -1.52 -5.94 -4.21 4.37 7.64 -0.29 -4.98 113.62 108.70 3djc n SER 81 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.57 3djc n SER 81 Cb 0.23 -4.95 -0.17 0.00 -1.01 0.00 0.00 64.21 58.31 3djc n SER 81 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3djc s ILE 82 N -3.04 2.02 -0.35 0.44 1.01 -0.82 -4.92 121.20 115.55 3djc s ILE 82 Ca 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 3djc s ILE 82 Cb 0.00 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3djc s ILE 82 CO 0.00 0.55 0.78 -0.62 0.00 0.00 0.00 174.94 175.66 3djc s ASP 83 N 0.35 6.59 0.50 3.58 3.68 -1.26 -2.51 116.67 127.59 3djc s ASP 83 Ca -0.19 0.45 -0.21 0.00 2.13 0.00 0.00 52.55 54.74 3djc s ASP 83 Cb -0.18 -2.40 -0.07 0.00 -1.45 0.00 0.00 42.92 38.82 3djc s ASP 83 CO 0.09 -0.69 1.10 -2.16 0.13 0.00 0.00 175.17 173.63 3djc s PRO 84 N 3.05 3.62 0.12 4.34 0.04 -1.26 -4.81 135.00 140.10 3djc s PRO 84 Ca 0.32 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3djc s PRO 84 Cb -0.13 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 3djc s PRO 84 CO 0.15 -0.61 1.22 0.12 0.04 0.00 0.00 177.00 177.92 3djc s PHE 85 N -1.79 3.41 -0.19 0.56 5.36 -0.25 -4.93 117.98 120.15 3djc s PHE 85 Ca 0.68 1.31 -0.03 0.00 -0.96 0.00 0.00 56.93 57.93 3djc s PHE 85 Cb -0.22 -3.46 -0.01 0.00 -0.34 0.00 0.00 43.02 38.99 3djc s PHE 85 CO 0.26 -1.38 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.06 3djc s LEU 86 N 0.55 2.88 -0.65 6.12 2.01 -1.26 -0.07 118.68 128.27 3djc s LEU 86 Ca 0.57 -0.35 -0.26 0.00 0.01 0.00 0.00 54.13 54.11 3djc s LEU 86 Cb -0.32 -1.71 0.04 0.00 0.01 0.00 0.00 46.19 44.22 3djc s LEU 86 CO 0.32 0.05 1.11 -0.22 1.01 0.00 0.00 176.35 178.63 3djc s LEU 87 N 1.05 3.71 0.00 1.79 2.96 -0.37 -4.93 118.68 122.89 3djc s LEU 87 Ca 0.00 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3djc s LEU 87 Cb -0.15 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.83 3djc s LEU 87 CO -0.01 -1.54 0.00 0.00 -1.32 0.00 0.00 176.35 173.49 3djc n GLN 88 N 8.37 0.00 -2.06 1.98 10.64 -1.26 -4.52 117.38 130.53 3djc n GLN 88 Ca 0.02 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.77 3djc n GLN 88 Cb 0.48 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.83 3djc n GLN 88 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3djc s ALA 89 N -1.36 3.63 0.00 2.61 0.00 -1.26 -3.70 121.76 121.68 3djc s ALA 89 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3djc s ALA 89 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3djc s ALA 89 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.03 3djc n GLY 90 N 3.92 3.35 3.75 0.00 0.00 -1.26 -5.11 105.19 109.83 3djc n GLY 90 Ca 0.15 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3djc n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3djc s VAL 91 N 0.00 2.97 0.04 1.61 -7.23 -1.24 -4.97 120.40 111.58 3djc s VAL 91 Ca 0.00 0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 3djc s VAL 91 Cb 0.00 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 3djc s VAL 91 CO 0.00 -0.41 1.68 -0.54 -0.31 0.00 0.00 175.10 175.52 3djc s LYS 92 N -4.94 4.19 -0.01 4.82 1.02 -1.26 -4.87 119.74 118.69 3djc s LYS 92 Ca 0.62 2.32 0.01 0.00 0.02 0.00 0.00 55.97 58.95 3djc s LYS 92 Cb -0.17 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3djc s LYS 92 CO 0.56 -0.77 0.01 0.25 -0.92 0.00 0.00 175.35 174.48 3djc n THR 93 N 4.93 0.07 -1.96 2.17 -2.24 -1.26 -4.85 114.28 111.14 3djc n THR 93 Ca 0.16 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 3djc n THR 93 Cb 0.41 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 3djc n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3djc n GLY 94 N 2.85 0.25 3.23 3.38 0.00 -1.26 -4.89 105.19 108.75 3djc n GLY 94 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3djc n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3djc s LEU 95 N -2.41 2.34 -0.42 0.99 1.43 -1.26 -4.91 118.68 114.44 3djc s LEU 95 Ca 0.00 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 3djc s LEU 95 Cb 0.00 -0.63 0.08 0.00 0.03 0.00 0.00 46.19 45.67 3djc s LEU 95 CO 0.00 -0.07 0.26 0.20 0.23 0.00 0.00 176.35 176.97 3djc s ASN 96 N -2.09 5.61 -0.18 2.29 -0.87 -0.95 -4.97 114.94 113.78 3djc s ASN 96 Ca 0.05 -1.58 -0.29 0.00 -1.57 0.00 0.00 52.86 49.47 3djc s ASN 96 Cb -0.08 -1.97 -0.01 0.00 -0.02 0.00 0.00 41.25 39.17 3djc s ASN 96 CO 0.03 -0.55 1.19 -0.63 -2.57 0.00 0.00 177.10 174.57 3djc s ILE 97 N 1.40 4.40 -1.03 0.60 1.01 -1.26 -1.44 121.20 124.87 3djc s ILE 97 Ca 0.03 1.70 0.15 0.00 0.00 0.00 0.00 60.65 62.53 3djc s ILE 97 Cb -0.23 -4.09 0.66 0.00 0.01 0.00 0.00 42.46 38.80 3djc s ILE 97 CO 0.01 -0.14 1.54 0.29 0.00 0.00 0.00 174.94 176.65 3djc n LYS 98 N 6.43 3.62 -2.18 2.79 4.01 0.15 -4.91 118.16 128.07 3djc n LYS 98 Ca 0.13 -2.58 -0.36 0.00 -0.51 0.00 0.00 58.31 54.98 3djc n LYS 98 Cb 0.45 -1.90 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 3djc n LYS 98 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3djc s TYR 99 N -1.96 2.69 0.30 2.13 1.51 -1.26 -4.89 117.35 115.87 3djc s TYR 99 Ca 0.46 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 58.05 3djc s TYR 99 Cb 0.31 -3.41 0.48 0.00 -0.11 0.00 0.00 41.96 39.23 3djc s TYR 99 CO 0.20 -1.76 1.84 0.00 -1.11 0.00 0.00 175.55 174.73 3djc h ARG 100 N 1.58 0.69 -4.41 -0.62 -0.00 -1.97 -3.33 114.38 106.32 3djc h ARG 100 Ca -0.50 -0.15 -0.64 0.00 -0.50 0.00 0.00 59.98 58.19 3djc h ARG 100 Cb 1.26 -0.10 -0.40 0.00 0.00 0.00 0.00 29.97 30.73 3djc h ARG 100 CO 0.58 0.66 -0.73 1.21 0.00 0.00 0.00 179.97 181.70 3djc s ASN 101 N -6.65 4.57 0.60 7.04 2.47 -1.26 -5.00 114.94 116.71 3djc s ASN 101 Ca -0.09 -2.01 0.40 0.00 0.42 0.00 0.00 52.86 51.58 3djc s ASN 101 Cb 0.15 -1.44 2.07 0.00 -1.45 0.00 0.00 41.25 40.58 3djc s ASN 101 CO 0.79 -0.38 2.21 -0.65 -3.72 0.00 0.00 177.10 175.34 3djc h PRO 102 N 7.73 0.00 0.00 0.43 0.11 -1.92 -1.78 132.00 136.57 3djc h PRO 102 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 3djc h PRO 102 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3djc h PRO 102 CO 0.51 0.00 -0.49 0.28 -0.21 0.00 0.00 178.00 178.09 3djc h VAL 103 N 0.00 0.94 0.00 3.15 2.07 -1.94 -3.29 116.25 117.18 3djc h VAL 103 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3djc h VAL 103 Cb 0.11 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3djc h VAL 103 CO 0.00 0.48 0.00 -0.08 0.02 0.00 0.00 177.57 177.99 3djc h GLU 104 N 0.00 0.00 -6.73 1.57 4.81 -1.76 -3.43 114.58 109.04 3djc h GLU 104 Ca -0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.70 3djc h GLU 104 Cb 1.22 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.63 3djc h GLU 104 CO 0.06 0.00 0.62 0.08 -0.73 0.00 0.00 179.01 179.05 3djc s VAL 105 N -3.31 3.17 0.67 0.32 1.01 -1.24 -5.03 120.40 116.00 3djc s VAL 105 Ca 0.05 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 3djc s VAL 105 Cb 0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3djc s VAL 105 CO 0.47 0.18 1.10 -0.83 0.00 0.00 0.00 175.10 176.03 3djc s GLY 106 N 0.03 2.10 0.34 4.51 0.00 -1.26 -4.96 107.32 108.08 3djc s GLY 106 Ca 0.53 0.50 0.16 0.00 0.00 0.00 0.00 44.72 45.92 3djc s GLY 106 CO 0.41 0.85 1.69 0.00 0.00 0.00 0.00 173.10 176.05 3djc h ALA 107 N -0.06 0.97 0.00 3.20 0.00 -1.88 -2.91 119.26 118.58 3djc h ALA 107 Ca -0.46 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 53.86 3djc h ALA 107 Cb 1.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3djc h ALA 107 CO 0.54 0.56 -0.85 0.38 0.00 0.00 0.00 179.25 179.87 3djc h ASP 108 N 0.00 0.12 0.31 0.00 3.04 -1.93 0.27 116.42 118.23 3djc h ASP 108 Ca -0.00 -0.10 -0.14 0.00 -3.24 0.00 0.00 57.03 53.55 3djc h ASP 108 Cb 0.98 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.22 3djc h ASP 108 CO 0.06 0.91 -0.57 0.03 -2.04 0.00 0.00 179.24 177.63 3djc h ARG 109 N 0.05 0.28 -0.27 4.15 2.47 -1.95 -0.02 114.38 119.08 3djc h ARG 109 Ca -0.03 -0.18 -0.09 0.00 -1.26 0.00 0.00 59.98 58.43 3djc h ARG 109 Cb 1.49 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 3djc h ARG 109 CO 0.12 0.77 -0.17 0.82 0.56 0.00 0.00 179.97 182.08 3djc h ILE 110 N 0.21 1.30 0.16 2.04 2.04 -1.38 -2.40 117.51 119.49 3djc h ILE 110 Ca -0.00 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3djc h ILE 110 Cb 1.07 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3djc h ILE 110 CO 0.09 0.40 -0.17 0.00 0.00 0.00 0.00 178.15 178.48 3djc h ALA 111 N 0.73 -0.34 -0.64 1.87 0.00 -0.32 -2.14 119.26 118.41 3djc h ALA 111 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3djc h ALA 111 Cb 0.70 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3djc h ALA 111 CO 0.05 -0.71 0.24 -0.91 0.00 0.00 0.00 179.25 177.91 3djc h ASN 112 N -0.37 0.22 -0.99 0.00 4.21 -1.05 -2.29 115.58 115.32 3djc h ASN 112 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.61 3djc h ASN 112 Cb 0.35 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.57 3djc h ASN 112 CO -0.05 0.12 0.64 0.00 -1.29 0.00 0.00 177.43 176.85 3djc h ALA 113 N 1.45 1.26 -0.63 -0.83 0.00 -1.26 -0.95 119.26 118.29 3djc h ALA 113 Ca 0.33 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3djc h ALA 113 Cb 0.44 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3djc h ALA 113 CO -0.33 0.67 0.14 0.82 0.00 0.00 0.00 179.25 180.55 3djc h ILE 114 N 1.35 1.26 -0.07 0.00 2.04 -0.83 -2.73 117.51 118.53 3djc h ILE 114 Ca 0.36 -0.94 -0.18 0.00 1.00 0.00 0.00 64.86 65.09 3djc h ILE 114 Cb -0.13 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3djc h ILE 114 CO -0.07 0.35 -0.67 0.00 0.00 0.00 0.00 178.15 177.76 3djc h ALA 115 N 1.05 0.17 -0.56 1.87 0.00 -1.30 -3.10 119.26 117.39 3djc h ALA 115 Ca 0.20 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3djc h ALA 115 Cb 0.37 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3djc h ALA 115 CO 0.00 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.00 3djc h ALA 116 N 0.44 0.72 -0.35 0.00 0.00 -1.20 -1.39 119.26 117.47 3djc h ALA 116 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3djc h ALA 116 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3djc h ALA 116 CO 0.14 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.53 3djc n THR 117 N -4.91 0.48 -0.09 0.00 -2.24 -1.03 -1.18 114.28 105.31 3djc n THR 117 Ca 0.06 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3djc n THR 117 Cb 0.18 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 3djc n THR 117 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3djc n HIS 118 N 0.52 0.00 0.11 4.78 -0.00 -0.95 -4.08 115.22 115.60 3djc n HIS 118 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.79 3djc n HIS 118 Cb 0.30 -0.68 0.08 0.00 -0.00 0.00 0.00 29.99 29.70 3djc n HIS 118 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3djc h SER 119 N -0.05 0.10 -2.42 0.26 0.02 -1.21 -3.39 113.55 106.86 3djc h SER 119 Ca -0.40 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 59.89 3djc h SER 119 Cb 1.59 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 63.71 3djc h SER 119 CO -0.08 0.79 -0.91 0.49 -1.14 0.00 0.00 176.83 175.98 3djc n PHE 120 N -3.72 0.11 0.23 3.45 3.72 -0.33 -5.04 117.46 115.87 3djc n PHE 120 Ca -0.02 -3.56 0.11 0.00 -0.05 0.00 0.00 57.45 53.93 3djc n PHE 120 Cb 0.70 -0.03 0.46 0.00 -0.94 0.00 0.00 39.48 39.67 3djc n PHE 120 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3djc h PRO 121 N 5.26 0.00 -0.04 -1.08 0.11 -1.77 -3.29 132.00 131.19 3djc h PRO 121 Ca 0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 3djc h PRO 121 Cb 0.87 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.85 3djc h PRO 121 CO 0.47 0.17 -0.66 0.09 -0.21 0.00 0.00 178.00 177.86 3djc n ASN 122 N -3.29 1.65 -4.34 -2.05 4.13 -1.26 -4.95 115.26 105.14 3djc n ASN 122 Ca 0.01 -3.37 -0.24 0.00 1.68 0.00 0.00 54.58 52.66 3djc n ASN 122 Cb 0.43 -0.46 -0.12 0.00 -1.54 0.00 0.00 39.78 38.09 3djc n ASN 122 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3djc s GLN 123 N -2.41 1.30 0.06 3.52 -0.21 -1.24 -4.86 119.66 115.81 3djc s GLN 123 Ca 0.37 -1.37 -0.31 0.00 0.02 0.00 0.00 55.36 54.08 3djc s GLN 123 Cb 0.38 -1.49 -0.05 0.00 1.00 0.00 0.00 33.01 32.84 3djc s GLN 123 CO -0.09 0.32 1.19 -0.80 -2.12 0.00 0.00 175.29 173.78 3djc s ASN 124 N -2.44 7.10 -0.07 5.90 0.01 -1.26 -3.53 114.94 120.64 3djc s ASN 124 Ca 0.14 1.99 0.03 0.00 -0.71 0.00 0.00 52.86 54.32 3djc s ASN 124 Cb -0.07 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3djc s ASN 124 CO 0.07 -0.46 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.40 3djc s ILE 125 N 1.08 1.48 -0.35 0.60 1.01 0.13 -0.43 121.20 124.71 3djc s ILE 125 Ca 0.58 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3djc s ILE 125 Cb -0.29 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 40.90 3djc s ILE 125 CO 0.29 0.43 0.18 -0.63 0.00 0.00 0.00 174.94 175.21 3djc s ILE 126 N 0.46 4.49 -0.20 2.92 1.01 -1.07 -0.04 121.20 128.77 3djc s ILE 126 Ca -0.14 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 3djc s ILE 126 Cb -0.16 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3djc s ILE 126 CO 0.05 -0.15 0.24 0.54 0.00 0.00 0.00 174.94 175.63 3djc s VAL 127 N 1.55 5.32 -0.27 2.92 0.11 -1.01 -2.07 120.40 126.95 3djc s VAL 127 Ca 0.02 0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 3djc s VAL 127 Cb -0.19 -3.58 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 3djc s VAL 127 CO 0.06 0.35 0.01 -0.63 -3.33 0.00 0.00 175.10 171.56 3djc s ILE 128 N 0.85 3.40 -0.52 7.04 1.01 -0.58 -2.13 121.20 130.28 3djc s ILE 128 Ca 0.13 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 3djc s ILE 128 Cb -0.13 -2.75 0.08 0.00 0.01 0.00 0.00 42.46 39.67 3djc s ILE 128 CO 0.04 0.13 0.55 -0.62 0.00 0.00 0.00 174.94 175.05 3djc s ASP 129 N 1.41 6.19 -1.30 3.58 3.68 -0.95 -0.90 116.67 128.37 3djc s ASP 129 Ca 0.01 -1.26 -0.14 0.00 2.13 0.00 0.00 52.55 53.29 3djc s ASP 129 Cb -0.17 -2.25 0.11 0.00 -1.45 0.00 0.00 42.92 39.16 3djc s ASP 129 CO -0.01 -0.86 1.78 0.49 0.13 0.00 0.00 175.17 176.70 3djc n PHE 130 N 5.79 4.20 0.00 -5.34 3.01 0.12 -2.60 117.46 122.63 3djc n PHE 130 Ca -0.10 -3.01 0.00 0.00 1.01 0.00 0.00 57.45 55.35 3djc n PHE 130 Cb 0.44 -2.37 0.00 0.00 -0.01 0.00 0.00 39.48 37.54 3djc n PHE 130 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3djc n GLY 131 N 4.27 1.93 0.25 1.37 0.00 -1.26 -2.18 105.19 109.58 3djc n GLY 131 Ca 0.44 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 3djc n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3djc h THR 132 N 0.00 1.26 -4.52 2.61 2.02 -1.98 -3.40 112.91 108.90 3djc h THR 132 Ca 0.00 -1.07 -0.67 0.00 0.77 0.00 0.00 66.41 65.44 3djc h THR 132 Cb 0.00 0.98 -0.30 0.00 -1.74 0.00 0.00 68.15 67.09 3djc h THR 132 CO 0.00 0.37 -0.88 0.00 0.37 0.00 0.00 175.52 175.38 3djc s ALA 133 N -5.02 2.03 -0.75 6.16 0.00 -1.26 -1.83 121.76 121.08 3djc s ALA 133 Ca -0.12 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3djc s ALA 133 Cb 0.12 -0.52 0.08 0.00 0.00 0.00 0.00 23.12 22.80 3djc s ALA 133 CO 0.82 0.49 1.04 0.99 0.00 0.00 0.00 175.76 179.10 3djc s THR 134 N -0.55 4.39 0.18 0.00 2.01 0.32 -4.59 115.64 117.41 3djc s THR 134 Ca 0.09 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 3djc s THR 134 Cb -0.10 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.64 3djc s THR 134 CO -0.01 -1.51 0.36 0.28 -0.69 0.00 0.00 174.62 173.05 3djc s THR 135 N 3.81 5.24 -0.04 -0.82 -1.32 -1.07 -0.52 115.64 120.92 3djc s THR 135 Ca 0.27 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 3djc s THR 135 Cb -0.13 -3.72 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 3djc s THR 135 CO 0.04 -0.13 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.86 3djc s PHE 136 N -1.81 1.18 -0.09 9.09 0.40 0.13 -2.24 117.98 124.64 3djc s PHE 136 Ca 0.38 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3djc s PHE 136 Cb -0.11 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.59 3djc s PHE 136 CO 0.29 -0.17 -0.06 0.00 0.70 0.00 0.00 175.22 175.98 3djc s ALA 138 N 1.49 3.53 -0.11 0.00 0.00 0.12 -2.40 121.76 124.40 3djc s ALA 138 Ca -0.00 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3djc s ALA 138 Cb -0.13 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3djc s ALA 138 CO -0.05 -0.76 -0.12 0.42 0.00 0.00 0.00 175.76 175.25 3djc s ILE 139 N 2.43 1.28 0.88 0.00 1.01 0.95 -2.08 121.20 125.67 3djc s ILE 139 Ca 0.43 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3djc s ILE 139 Cb -0.17 -1.22 0.12 0.00 0.01 0.00 0.00 42.46 41.20 3djc s ILE 139 CO 0.12 0.40 1.14 -0.94 0.00 0.00 0.00 174.94 175.67 3djc s SER 140 N 1.28 3.80 0.42 3.58 1.04 -0.76 0.21 113.70 123.26 3djc s SER 140 Ca -0.02 0.96 0.29 0.00 0.48 0.00 0.00 55.95 57.66 3djc s SER 140 Cb -0.14 -1.54 1.17 0.00 0.10 0.00 0.00 66.02 65.62 3djc s SER 140 CO -0.05 -2.37 1.86 1.12 0.98 0.00 0.00 173.24 174.78 3djc h HIS 141 N -1.37 0.00 -0.29 5.02 2.07 -1.89 -2.03 115.15 116.66 3djc h HIS 141 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3djc h HIS 141 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 3djc h HIS 141 CO 0.31 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.80 3djc n LYS 142 N -2.71 1.92 -2.61 5.12 5.02 -1.26 -4.60 118.16 119.04 3djc n LYS 142 Ca 0.01 -1.14 -0.21 0.00 -2.02 0.00 0.00 58.31 54.96 3djc n LYS 142 Cb 0.28 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3djc n LYS 142 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3djc n LYS 143 N 0.35 -2.79 -2.85 1.97 5.02 -0.76 -4.82 118.16 114.27 3djc n LYS 143 Ca 0.10 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 3djc n LYS 143 Cb 0.35 -5.64 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 3djc n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3djc s ALA 144 N -3.07 3.56 -0.73 7.82 0.00 -1.26 -2.25 121.76 125.83 3djc s ALA 144 Ca 0.11 -0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 3djc s ALA 144 Cb -0.05 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3djc s ALA 144 CO 0.14 -1.19 1.34 -0.47 0.00 0.00 0.00 175.76 175.58 3djc s TYR 145 N 3.09 2.22 -0.47 0.00 5.04 -0.52 -1.82 117.35 124.89 3djc s TYR 145 Ca 0.36 0.03 0.24 0.00 -2.44 0.00 0.00 57.07 55.26 3djc s TYR 145 Cb -0.14 -4.57 0.35 0.00 0.35 0.00 0.00 41.96 37.94 3djc s TYR 145 CO 0.11 -2.10 1.48 -0.07 -1.34 0.00 0.00 175.55 173.63 3djc h LEU 146 N 13.39 0.00 0.00 6.97 3.38 -1.69 0.44 115.31 137.79 3djc h LEU 146 Ca -0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3djc h LEU 146 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3djc h LEU 146 CO 1.28 0.01 0.00 0.61 0.09 0.00 0.00 178.44 180.43 3djc n GLY 147 N 1.18 -0.57 0.00 0.83 0.00 -1.24 -4.65 105.19 100.74 3djc n GLY 147 Ca 0.03 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3djc n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djc n GLY 148 N 0.00 -0.53 3.28 -0.02 0.00 -1.26 0.16 105.19 106.83 3djc n GLY 148 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3djc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djc s ALA 149 N -1.00 -0.24 -0.06 4.61 0.00 -0.19 -4.99 121.76 119.90 3djc s ALA 149 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 3djc s ALA 149 Cb 0.00 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.83 3djc s ALA 149 CO 0.00 -0.59 0.10 -1.50 0.00 0.00 0.00 175.76 173.77 3djc s ILE 150 N -3.90 -0.15 0.19 0.00 2.07 -1.26 0.22 121.20 118.37 3djc s ILE 150 Ca 0.10 0.34 0.07 0.00 -1.41 0.00 0.00 60.65 59.75 3djc s ILE 150 Cb 0.04 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.39 3djc s ILE 150 CO -0.06 0.14 0.04 -0.76 -1.91 0.00 0.00 174.94 172.38 3djc s LEU 151 N 1.91 3.42 0.30 8.50 1.43 0.33 -4.98 118.68 129.59 3djc s LEU 151 Ca 0.00 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 3djc s LEU 151 Cb -0.12 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 3djc s LEU 151 CO -0.04 0.06 1.43 -2.16 0.23 0.00 0.00 176.35 175.87 3djc s PRO 152 N -3.14 4.24 1.04 1.29 0.04 -1.26 -0.52 135.00 136.69 3djc s PRO 152 Ca 0.29 2.36 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 3djc s PRO 152 Cb -0.09 -3.06 0.21 0.00 0.04 0.00 0.00 34.50 31.60 3djc s PRO 152 CO 0.20 -0.40 1.08 0.20 0.04 0.00 0.00 177.00 178.12 3djc s GLY 153 N 0.04 1.56 0.39 0.56 0.00 -0.76 -4.30 107.32 104.80 3djc s GLY 153 Ca 0.56 -0.32 0.13 0.00 0.00 0.00 0.00 44.72 45.09 3djc s GLY 153 CO 0.51 0.32 1.87 1.41 0.00 0.00 0.00 173.10 177.20 3djc h LEU 154 N -2.06 0.00 -0.23 0.66 3.38 -1.82 0.34 115.31 115.58 3djc h LEU 154 Ca -0.56 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.22 3djc h LEU 154 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3djc h LEU 154 CO 0.56 0.32 -0.61 0.03 0.09 0.00 0.00 178.44 178.84 3djc h ARG 155 N 0.00 0.81 -0.15 1.13 2.47 -1.87 -2.85 114.38 113.91 3djc h ARG 155 Ca -0.00 -0.57 -0.02 0.00 -1.26 0.00 0.00 59.98 58.12 3djc h ARG 155 Cb 0.57 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 3djc h ARG 155 CO 0.04 1.19 0.00 -0.07 0.56 0.00 0.00 179.97 181.70 3djc h LEU 156 N 0.56 0.27 -2.79 3.04 3.38 -1.49 0.52 115.31 118.80 3djc h LEU 156 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3djc h LEU 156 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3djc h LEU 156 CO 0.13 0.51 0.05 0.28 0.09 0.00 0.00 178.44 179.50 3djc h SER 157 N 0.02 0.00 0.05 -0.43 0.02 -0.47 0.14 113.55 112.88 3djc h SER 157 Ca 0.04 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.66 3djc h SER 157 Cb 0.37 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3djc h SER 157 CO 0.01 0.00 -1.85 0.00 -1.14 0.00 0.00 176.83 173.85 3djc n ALA 158 N -2.04 0.95 0.19 3.77 0.00 -1.04 -4.23 120.51 118.12 3djc n ALA 158 Ca -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 53.44 52.78 3djc n ALA 158 Cb 0.12 -0.46 0.38 0.00 0.00 0.00 0.00 19.45 19.49 3djc n ALA 158 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3djc h ASP 159 N -0.50 0.00 -0.25 0.00 3.45 -0.45 -3.01 116.42 115.66 3djc h ASP 159 Ca -0.45 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.88 3djc h ASP 159 Cb 1.68 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.44 3djc h ASP 159 CO -0.12 0.37 -0.30 0.00 -1.57 0.00 0.00 179.24 177.62 3djc h ALA 160 N 1.63 0.81 0.00 3.45 0.00 -0.95 -1.80 119.26 122.41 3djc h ALA 160 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3djc h ALA 160 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3djc h ALA 160 CO 0.05 0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 179.66 3djc h LEU 161 N 0.64 0.00 0.00 0.00 3.38 -1.70 -2.92 115.31 114.72 3djc h LEU 161 Ca 0.08 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.66 3djc h LEU 161 Cb 0.82 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 3djc h LEU 161 CO 0.07 0.21 -2.48 -1.54 0.09 0.00 0.00 178.44 174.79 3djc n SER 162 N -3.77 1.98 0.11 -0.43 3.41 -1.17 -4.15 113.62 109.61 3djc n SER 162 Ca -0.02 -0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 3djc n SER 162 Cb 0.32 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3djc n SER 162 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3djc h LYS 163 N -0.00 0.00 -0.61 4.33 3.64 -1.44 -3.16 116.57 119.33 3djc h LYS 163 Ca -0.58 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.75 3djc h LYS 163 Cb 1.90 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.69 3djc h LYS 163 CO -0.09 0.73 0.06 0.09 -2.27 0.00 0.00 179.45 177.97 3djc n ASN 164 N -3.54 5.59 -3.91 4.20 3.02 -1.10 -4.91 115.26 114.60 3djc n ASN 164 Ca -0.00 -3.00 -0.12 0.00 -0.03 0.00 0.00 54.58 51.43 3djc n ASN 164 Cb 0.74 -0.70 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 3djc n ASN 164 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3djc s THR 165 N -2.83 0.08 -0.08 3.41 2.01 -1.19 -5.02 115.64 112.03 3djc s THR 165 Ca 0.55 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 3djc s THR 165 Cb 0.42 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.77 3djc s THR 165 CO 0.15 -0.10 0.46 0.00 -0.69 0.00 0.00 174.62 174.45 3djc s ALA 166 N -0.35 3.54 -0.63 7.40 0.00 -1.26 -4.57 121.76 125.88 3djc s ALA 166 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3djc s ALA 166 Cb -0.03 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 3djc s ALA 166 CO -0.00 0.15 0.57 1.63 0.00 0.00 0.00 175.76 178.11 3djc n LYS 167 N 3.08 -1.21 -3.43 0.00 4.76 -1.26 -5.08 118.16 115.02 3djc n LYS 167 Ca -0.09 1.04 0.01 0.00 -2.87 0.00 0.00 58.31 56.40 3djc n LYS 167 Cb 0.52 -4.68 -0.04 0.00 -1.84 0.00 0.00 35.03 28.99 3djc n LYS 167 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3djc s LEU 168 N -3.92 -0.78 0.61 -0.35 0.20 -1.26 -5.15 118.68 108.03 3djc s LEU 168 Ca 0.12 0.97 -0.12 0.00 0.69 0.00 0.00 54.13 55.78 3djc s LEU 168 Cb -0.02 1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 47.55 3djc s LEU 168 CO 0.55 -0.15 1.03 -2.16 -0.29 0.00 0.00 176.35 175.33 3djc s PRO 169 N 2.64 3.58 0.09 0.98 0.04 -1.26 -4.48 135.00 136.58 3djc s PRO 169 Ca -0.02 0.84 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 3djc s PRO 169 Cb -0.09 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3djc s PRO 169 CO -0.18 -0.59 0.84 -1.54 0.04 0.00 0.00 177.00 175.58 3djc s SER 170 N -3.84 7.35 0.25 6.66 1.04 -1.26 -4.62 113.70 119.28 3djc s SER 170 Ca 0.57 1.61 0.10 0.00 0.48 0.00 0.00 55.95 58.70 3djc s SER 170 Cb -0.11 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 3djc s SER 170 CO 0.49 0.02 -0.05 0.54 0.98 0.00 0.00 173.24 175.21 3djc s VAL 171 N -0.22 3.26 0.34 5.02 0.11 -1.26 -5.12 120.40 122.53 3djc s VAL 171 Ca 0.41 -1.95 -0.26 0.00 -2.93 0.00 0.00 61.98 57.25 3djc s VAL 171 Cb -0.22 -2.72 -0.09 0.00 -1.53 0.00 0.00 36.38 31.82 3djc s VAL 171 CO 0.26 -0.34 1.02 -1.61 -3.33 0.00 0.00 175.10 171.11 3djc s GLU 172 N -3.51 4.42 -0.78 1.54 2.02 -1.26 -4.99 118.70 116.14 3djc s GLU 172 Ca 0.30 1.51 -0.20 0.00 0.02 0.00 0.00 54.97 56.61 3djc s GLU 172 Cb -0.07 -2.78 0.11 0.00 0.10 0.00 0.00 34.13 31.50 3djc s GLU 172 CO 0.18 0.09 0.98 0.42 0.02 0.00 0.00 175.26 176.95 3djc s ILE 173 N -1.53 4.69 0.18 -1.63 -1.09 -1.26 -4.85 121.20 115.71 3djc s ILE 173 Ca 0.52 -1.18 0.09 0.00 -2.23 0.00 0.00 60.65 57.85 3djc s ILE 173 Cb -0.23 -4.68 -0.04 0.00 -1.58 0.00 0.00 42.46 35.93 3djc s ILE 173 CO 0.29 -1.39 -0.12 0.27 -1.23 0.00 0.00 174.94 172.76 3djc s ILE 174 N 2.92 3.07 -0.57 2.92 -0.00 -1.26 -5.07 121.20 123.21 3djc s ILE 174 Ca 0.25 -1.69 -0.27 0.00 -0.00 0.00 0.00 60.65 58.93 3djc s ILE 174 Cb -0.12 -2.51 -0.01 0.00 -0.00 0.00 0.00 42.46 39.82 3djc s ILE 174 CO -0.01 -0.10 1.71 -0.75 -0.00 0.00 0.00 174.94 175.80 3djc s LYS 175 N -2.77 2.92 0.32 0.37 2.20 -1.26 -4.82 119.74 116.69 3djc s LYS 175 Ca 0.24 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.47 3djc s LYS 175 Cb -0.09 -4.29 -0.04 0.00 -1.51 0.00 0.00 37.83 31.91 3djc s LYS 175 CO 0.14 -2.39 0.54 -0.08 -0.36 0.00 0.00 175.35 173.20 3djc s THR 176 N 7.86 5.10 -0.68 3.43 -1.32 -1.26 -5.02 115.64 123.74 3djc s THR 176 Ca 0.63 -0.32 0.16 0.00 -1.21 0.00 0.00 61.69 60.96 3djc s THR 176 Cb -0.13 -3.82 -0.18 0.00 -1.51 0.00 0.00 72.50 66.86 3djc s THR 176 CO 0.23 -0.46 0.65 -0.62 -2.21 0.00 0.00 174.62 172.21 3djc n GLU 177 N -1.46 1.57 -4.38 7.08 -0.58 -1.26 -4.99 120.64 116.62 3djc n GLU 177 Ca -0.04 -0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 3djc n GLU 177 Cb 0.55 -1.27 -0.13 0.00 -0.57 0.00 0.00 31.44 30.03 3djc n GLU 177 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3djc s SER 178 N -2.66 3.42 -0.01 1.62 0.15 -1.26 -5.02 113.70 109.94 3djc s SER 178 Ca 0.05 -0.73 0.16 0.00 0.70 0.00 0.00 55.95 56.13 3djc s SER 178 Cb 0.12 -0.27 -0.21 0.00 -1.71 0.00 0.00 66.02 63.94 3djc s SER 178 CO 0.66 0.17 0.53 1.33 1.20 0.00 0.00 173.24 177.13 3djc n VAL 179 N 0.83 0.00 -2.98 4.45 0.24 -1.26 -4.57 118.33 115.05 3djc n VAL 179 Ca -0.17 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 3djc n VAL 179 Cb 0.53 0.59 0.01 0.00 -1.47 0.00 0.00 33.84 33.50 3djc n VAL 179 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3djc n VAL 180 N -1.70 4.97 -2.02 3.34 0.31 -1.26 -4.85 118.33 117.12 3djc n VAL 180 Ca 0.00 -5.52 -0.41 0.00 -0.01 0.00 0.00 64.34 58.40 3djc n VAL 180 Cb 0.33 -2.25 -0.01 0.00 -0.91 0.00 0.00 33.84 30.99 3djc n VAL 180 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3djc s GLY 181 N -0.44 2.98 -0.20 2.92 0.00 -1.26 -4.95 107.32 106.37 3djc s GLY 181 Ca 0.33 1.36 0.13 0.00 0.00 0.00 0.00 44.72 46.54 3djc s GLY 181 CO 0.04 2.02 1.26 0.54 0.00 0.00 0.00 173.10 176.96 3djc n ARG 182 N 0.70 1.64 -3.86 2.90 1.74 -1.26 -4.63 116.66 113.89 3djc n ARG 182 Ca 0.00 -3.03 -0.09 0.00 -0.77 0.00 0.00 57.85 53.95 3djc n ARG 182 Cb 0.41 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 3djc n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3djc s SER 183 N -2.91 0.01 0.06 0.55 0.15 -1.26 -5.02 113.70 105.28 3djc s SER 183 Ca 0.38 -0.69 -0.22 0.00 0.70 0.00 0.00 55.95 56.12 3djc s SER 183 Cb 0.35 0.42 -0.13 0.00 -1.71 0.00 0.00 66.02 64.94 3djc s SER 183 CO -0.02 -0.84 1.54 0.74 1.20 0.00 0.00 173.24 175.86 3djc h THR 184 N 2.57 1.20 -0.73 6.45 2.02 -1.99 0.15 112.91 122.59 3djc h THR 184 Ca -0.33 -0.62 0.14 0.00 0.77 0.00 0.00 66.41 66.37 3djc h THR 184 Cb 1.22 1.41 -0.10 0.00 -1.74 0.00 0.00 68.15 68.95 3djc h THR 184 CO 0.50 0.18 0.26 0.40 0.37 0.00 0.00 175.52 177.23 3djc h ILE 185 N -0.04 0.64 -0.26 3.11 2.04 -1.97 -2.05 117.51 118.98 3djc h ILE 185 Ca 0.03 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 3djc h ILE 185 Cb 0.26 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3djc h ILE 185 CO 0.00 0.07 -0.48 -0.33 0.00 0.00 0.00 178.15 177.41 3djc h GLU 186 N 0.39 0.69 -0.44 2.37 5.08 -1.88 -2.77 114.58 118.02 3djc h GLU 186 Ca 0.40 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3djc h GLU 186 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3djc h GLU 186 CO -0.42 1.02 0.06 0.77 -1.00 0.00 0.00 179.01 179.45 3djc h SER 187 N 0.55 0.71 -0.30 1.42 0.02 -0.26 -0.63 113.55 115.06 3djc h SER 187 Ca 0.03 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3djc h SER 187 Cb 1.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3djc h SER 187 CO 0.10 0.79 -0.13 -0.29 -1.14 0.00 0.00 176.83 176.17 3djc h ILE 188 N 0.59 1.29 -0.73 3.27 2.10 -1.45 -2.17 117.51 120.41 3djc h ILE 188 Ca 0.13 -1.21 0.04 0.00 1.08 0.00 0.00 64.86 64.90 3djc h ILE 188 Cb 0.39 1.45 -0.05 0.00 -1.09 0.00 0.00 36.82 37.52 3djc h ILE 188 CO 0.01 0.39 0.45 1.56 -1.08 0.00 0.00 178.15 179.48 3djc h GLN 189 N 0.37 0.84 0.00 2.19 4.20 -1.43 0.62 115.11 121.90 3djc h GLN 189 Ca 0.07 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3djc h GLN 189 Cb 0.64 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3djc h GLN 189 CO 0.04 0.55 -0.31 0.77 -0.67 0.00 0.00 178.83 179.21 3djc h SER 190 N 0.86 0.00 0.19 1.46 0.02 -1.11 -1.12 113.55 113.86 3djc h SER 190 Ca 0.30 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.91 3djc h SER 190 Cb 0.07 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.62 3djc h SER 190 CO -0.13 0.31 -1.69 1.23 -1.14 0.00 0.00 176.83 175.41 3djc h GLY 191 N 1.10 0.47 2.00 -3.77 0.00 -0.75 -2.92 103.07 99.20 3djc h GLY 191 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.14 3djc h GLY 191 CO 0.04 1.04 0.00 -2.08 0.00 0.00 0.00 176.54 175.54 3djc h VAL 192 N 0.08 0.00 0.05 4.60 2.07 0.26 0.27 116.25 123.58 3djc h VAL 192 Ca -0.33 -0.66 -0.36 0.00 0.82 0.00 0.00 66.70 66.17 3djc h VAL 192 Cb 2.08 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 33.45 3djc h VAL 192 CO 0.18 0.00 -2.05 0.00 0.02 0.00 0.00 177.57 175.72 3djc n TYR 193 N -2.62 0.69 0.69 1.57 9.36 -0.43 -4.24 117.16 122.19 3djc n TYR 193 Ca 0.05 0.19 0.11 0.00 3.32 0.00 0.00 57.90 61.57 3djc n TYR 193 Cb 0.45 -1.08 0.09 0.00 -0.63 0.00 0.00 39.34 38.17 3djc n TYR 193 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3djc n TYR 194 N -3.75 0.24 0.01 2.98 4.01 -1.10 -2.32 117.16 117.23 3djc n TYR 194 Ca -0.39 0.07 -0.19 0.00 -0.16 0.00 0.00 57.90 57.23 3djc n TYR 194 Cb 0.93 -0.41 -0.09 0.00 -0.31 0.00 0.00 39.34 39.46 3djc n TYR 194 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3djc h GLY 195 N 4.67 0.81 1.26 2.72 0.00 -0.64 -3.05 103.07 108.84 3djc h GLY 195 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 47.33 45.80 3djc h GLY 195 CO 0.00 1.13 -0.94 -2.08 0.00 0.00 0.00 176.54 174.66 3djc h VAL 196 N 0.43 1.29 -0.73 4.60 2.07 -1.71 -1.94 116.25 120.26 3djc h VAL 196 Ca -0.09 -2.18 0.09 0.00 0.82 0.00 0.00 66.70 65.34 3djc h VAL 196 Cb 1.54 2.24 -0.07 0.00 -1.52 0.00 0.00 31.29 33.48 3djc h VAL 196 CO 0.18 0.68 0.39 0.25 0.02 0.00 0.00 177.57 179.08 3djc h LEU 197 N 0.42 0.54 -0.13 2.57 5.85 -1.57 0.16 115.31 123.14 3djc h LEU 197 Ca -0.10 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 3djc h LEU 197 Cb 1.58 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 3djc h LEU 197 CO 0.18 0.32 -0.86 1.23 -0.34 0.00 0.00 178.44 178.97 3djc h GLY 198 N 0.67 0.00 1.06 3.75 0.00 -1.57 -2.52 103.07 104.46 3djc h GLY 198 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 3djc h GLY 198 CO -0.24 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.38 3djc h ALA 199 N 1.14 0.83 -0.30 3.60 0.00 -0.80 -1.29 119.26 122.45 3djc h ALA 199 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3djc h ALA 199 Cb 1.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3djc h ALA 199 CO 0.11 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 3djc h LYS 201 N 0.34 0.99 0.03 0.00 1.57 -1.34 -0.32 116.57 117.84 3djc h LYS 201 Ca 0.08 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 3djc h LYS 201 Cb 0.54 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.65 3djc h LYS 201 CO 0.03 0.65 -0.73 1.49 -0.57 0.00 0.00 179.45 180.32 3djc h GLU 202 N 1.01 0.44 0.00 3.15 4.57 -1.21 -3.15 114.58 119.39 3djc h GLU 202 Ca 0.29 -0.52 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 3djc h GLU 202 Cb -0.07 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3djc h GLU 202 CO -0.07 1.17 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.59 3djc h LEU 203 N -0.07 0.00 0.21 1.64 -0.00 -1.14 -1.13 115.31 114.83 3djc h LEU 203 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 3djc h LEU 203 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.12 3djc h LEU 203 CO 0.14 0.27 -0.10 0.40 -0.00 0.00 0.00 178.44 179.15 3djc h ILE 204 N 0.00 0.87 -0.11 1.22 2.04 -1.13 -3.23 117.51 117.16 3djc h ILE 204 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3djc h ILE 204 Cb 0.65 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3djc h ILE 204 CO 0.04 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.33 3djc n GLN 205 N -5.06 2.07 0.12 2.37 6.02 -1.16 -1.45 117.38 120.29 3djc n GLN 205 Ca -0.09 -1.57 -0.22 0.00 -0.01 0.00 0.00 57.00 55.10 3djc n GLN 205 Cb 0.24 -1.47 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 3djc n GLN 205 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3djc h ARG 206 N 3.56 0.52 -0.02 -1.09 2.47 -1.35 -3.24 114.38 115.24 3djc h ARG 206 Ca 0.00 -0.81 -0.26 0.00 -1.26 0.00 0.00 59.98 57.66 3djc h ARG 206 Cb 0.77 0.29 0.02 0.00 -1.65 0.00 0.00 29.97 29.39 3djc h ARG 206 CO 0.00 1.38 -1.00 0.82 0.56 0.00 0.00 179.97 181.73 3djc h ILE 207 N 0.18 1.30 -0.94 2.04 2.04 -1.56 -2.74 117.51 117.84 3djc h ILE 207 Ca -0.21 -2.25 0.13 0.00 1.00 0.00 0.00 64.86 63.53 3djc h ILE 207 Cb 2.04 2.34 -0.08 0.00 -0.74 0.00 0.00 36.82 40.38 3djc h ILE 207 CO 0.25 0.69 0.60 -0.74 0.00 0.00 0.00 178.15 178.95 3djc h HIS 208 N 0.39 0.97 -0.65 1.37 2.76 -1.41 0.18 115.15 118.75 3djc h HIS 208 Ca -0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3djc h HIS 208 Cb 1.64 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.30 3djc h HIS 208 CO 0.09 0.38 0.00 0.72 -1.30 0.00 0.00 177.93 177.82 3djc n HIS 209 N -4.58 0.94 0.00 5.26 8.25 -1.20 -1.55 115.22 122.33 3djc n HIS 209 Ca 0.18 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 3djc n HIS 209 Cb 0.41 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3djc n HIS 209 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3djc n GLU 210 N 1.35 0.60 -0.06 -0.41 2.13 -1.04 -4.44 120.64 118.78 3djc n GLU 210 Ca 0.22 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.98 3djc n GLU 210 Cb 0.62 -0.63 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3djc n GLU 210 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3djc n ALA 211 N -1.23 1.68 0.07 4.31 0.00 0.03 -4.46 120.51 120.90 3djc n ALA 211 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.43 3djc n ALA 211 Cb 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3djc n ALA 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3djc n PHE 212 N -2.79 0.00 0.00 0.00 0.99 -1.16 -5.02 117.46 109.48 3djc n PHE 212 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.22 3djc n PHE 212 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.51 3djc n PHE 212 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3djc n ASN 213 N -0.15 0.00 0.00 4.37 5.15 -0.85 -2.40 115.26 121.38 3djc n ASN 213 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 3djc n ASN 213 Cb 0.04 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 3djc n ASN 213 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3djc n GLY 214 N -1.63 1.27 3.61 8.20 0.00 -0.60 -4.73 105.19 111.31 3djc n GLY 214 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3djc n GLY 214 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3djc n ASP 215 N 0.00 1.88 -4.70 1.61 10.43 -1.01 -5.06 116.55 119.70 3djc n ASP 215 Ca 0.00 -2.38 -0.42 0.00 2.57 0.00 0.00 54.79 54.56 3djc n ASP 215 Cb 0.00 -0.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.51 3djc n ASP 215 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3djc s GLN 216 N -4.49 4.18 0.26 -1.24 -0.21 -1.26 -5.02 119.66 111.88 3djc s GLN 216 Ca 0.57 2.44 0.03 0.00 0.02 0.00 0.00 55.36 58.41 3djc s GLN 216 Cb -0.04 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.48 3djc s GLN 216 CO 0.36 -0.73 0.05 0.96 -2.12 0.00 0.00 175.29 173.81 3djc s ILE 217 N 2.14 0.88 -0.05 1.08 -4.36 -1.26 -4.13 121.20 115.49 3djc s ILE 217 Ca 0.75 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 3djc s ILE 217 Cb -0.43 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 40.75 3djc s ILE 217 CO 0.33 -0.13 0.02 -0.22 0.24 0.00 0.00 174.94 175.18 3djc s LEU 218 N -3.35 0.54 -0.46 0.37 2.96 0.43 -4.96 118.68 114.22 3djc s LEU 218 Ca 0.34 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 54.06 3djc s LEU 218 Cb 0.07 -0.31 0.06 0.00 0.50 0.00 0.00 46.19 46.51 3djc s LEU 218 CO 0.12 -0.20 0.44 -0.63 -1.32 0.00 0.00 176.35 174.76 3djc s ILE 219 N 1.87 5.14 0.26 6.68 1.01 -1.26 -2.59 121.20 132.31 3djc s ILE 219 Ca 0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3djc s ILE 219 Cb -0.12 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 3djc s ILE 219 CO -0.04 -0.57 0.51 -0.76 0.00 0.00 0.00 174.94 174.08 3djc s LEU 220 N 1.92 4.11 -0.08 2.97 1.02 -0.88 0.92 118.68 128.67 3djc s LEU 220 Ca 0.08 0.67 -0.04 0.00 0.02 0.00 0.00 54.13 54.85 3djc s LEU 220 Cb -0.22 -3.47 0.04 0.00 0.02 0.00 0.00 46.19 42.56 3djc s LEU 220 CO 0.09 -0.14 0.18 0.00 0.02 0.00 0.00 176.35 176.50 3djc s ALA 221 N -1.99 -0.38 0.35 4.21 0.00 -0.67 -1.53 121.76 121.75 3djc s ALA 221 Ca 0.43 0.72 0.06 0.00 0.00 0.00 0.00 51.96 53.18 3djc s ALA 221 Cb -0.11 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 3djc s ALA 221 CO 0.29 -0.15 -0.00 -0.08 0.00 0.00 0.00 175.76 175.81 3djc s THR 222 N 0.94 1.73 0.00 0.00 -1.32 -0.08 -2.00 115.64 114.91 3djc s THR 222 Ca -0.07 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 3djc s THR 222 Cb -0.09 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 3djc s THR 222 CO -0.05 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 3djc n GLY 223 N -0.80 2.13 0.18 6.08 0.00 -1.26 0.10 105.19 111.62 3djc n GLY 223 Ca -0.04 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3djc n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3djc h GLY 224 N 0.00 0.00 -2.23 -0.02 0.00 -1.81 -3.21 103.07 95.80 3djc h GLY 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3djc h GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3djc n PHE 225 N -2.74 0.76 -0.14 5.60 3.01 -0.95 -4.59 117.46 118.41 3djc n PHE 225 Ca 0.04 -0.45 -0.08 0.00 1.01 0.00 0.00 57.45 57.96 3djc n PHE 225 Cb 0.43 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 39.97 3djc n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3djc h ALA 226 N 3.68 0.87 0.00 4.37 0.00 -1.75 -3.20 119.26 123.22 3djc h ALA 226 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3djc h ALA 226 Cb 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3djc h ALA 226 CO 0.00 0.64 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3djc n SER 227 N -4.14 0.00 0.20 0.00 3.41 -1.26 -2.63 113.62 109.19 3djc n SER 227 Ca 0.01 0.25 0.14 0.00 -0.26 0.00 0.00 58.87 59.01 3djc n SER 227 Cb 0.40 -0.40 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 3djc n SER 227 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3djc h LEU 228 N 0.00 0.00 -3.18 1.04 3.38 -1.89 -3.22 115.31 111.43 3djc h LEU 228 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3djc h LEU 228 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3djc h LEU 228 CO 0.00 0.00 -0.02 0.49 0.09 0.00 0.00 178.44 179.00 3djc n PHE 229 N -2.81 0.64 -0.00 1.13 3.72 -1.08 -4.71 117.46 114.33 3djc n PHE 229 Ca 0.03 -1.02 -0.13 0.00 -0.05 0.00 0.00 57.45 56.29 3djc n PHE 229 Cb 0.41 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3djc n PHE 229 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3djc h ASP 230 N 1.12 0.73 -0.43 4.37 -0.00 -1.67 -3.24 116.42 117.30 3djc h ASP 230 Ca 0.02 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.03 56.56 3djc h ASP 230 Cb 1.32 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 40.42 3djc h ASP 230 CO 0.17 1.20 0.04 0.50 -0.00 0.00 0.00 179.24 181.14 3djc h LYS 231 N 0.46 0.74 0.00 0.28 3.64 -1.85 -3.35 116.57 116.49 3djc h LYS 231 Ca -0.02 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3djc h LYS 231 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3djc h LYS 231 CO 0.13 0.79 0.00 1.04 -2.27 0.00 0.00 179.45 179.13 3djc n GLN 232 N -4.45 0.39 -3.27 1.90 3.00 -1.22 -4.83 117.38 108.91 3djc n GLN 232 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3djc n GLN 232 Cb 0.27 -1.45 0.08 0.00 0.00 0.00 0.00 30.24 29.13 3djc n GLN 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3djc n GLY 233 N -0.21 -0.58 0.13 1.08 0.00 -1.26 -4.96 105.19 99.39 3djc n GLY 233 Ca 0.08 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 3djc n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djc n LEU 234 N -3.63 2.59 -4.54 0.99 7.94 -1.26 -5.02 117.00 114.07 3djc n LEU 234 Ca -0.19 0.08 -0.25 0.00 -1.11 0.00 0.00 56.01 54.54 3djc n LEU 234 Cb 0.64 -0.94 -0.10 0.00 0.53 0.00 0.00 43.42 43.55 3djc n LEU 234 CO 0.57 0.79 -0.27 -0.72 -1.11 0.00 0.00 177.39 176.64 3djc s TYR 235 N -2.51 2.15 -0.16 1.96 1.13 -1.26 -4.95 117.35 113.71 3djc s TYR 235 Ca -0.33 -0.88 0.02 0.00 -1.41 0.00 0.00 57.07 54.48 3djc s TYR 235 Cb 0.10 -1.48 -0.23 0.00 -1.10 0.00 0.00 41.96 39.25 3djc s TYR 235 CO 0.61 0.16 0.21 -0.25 -2.51 0.00 0.00 175.55 173.77 3djc n ASP 236 N -0.87 1.61 -3.84 -0.18 8.00 0.26 -4.97 116.55 116.56 3djc n ASP 236 Ca -0.05 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 3djc n ASP 236 Cb 0.67 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.25 3djc n ASP 236 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3djc s HIS 237 N -2.55 0.05 -0.43 1.24 3.76 -1.18 -5.05 115.29 111.14 3djc s HIS 237 Ca -0.21 0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 54.56 3djc s HIS 237 Cb 0.07 -0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.69 3djc s HIS 237 CO 0.74 -0.03 0.40 -1.17 -0.85 0.00 0.00 174.74 173.83 3djc s LEU 238 N 0.34 5.06 -0.41 0.89 0.20 -1.26 -1.66 118.68 121.84 3djc s LEU 238 Ca -0.03 -0.86 -0.07 0.00 0.69 0.00 0.00 54.13 53.86 3djc s LEU 238 Cb -0.04 -2.29 0.09 0.00 -0.43 0.00 0.00 46.19 43.51 3djc s LEU 238 CO -0.01 -0.58 0.23 -0.69 -0.29 0.00 0.00 176.35 175.02 3djc s VAL 239 N 1.96 3.87 0.26 1.68 1.01 -0.85 -4.98 120.40 123.35 3djc s VAL 239 Ca 0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 3djc s VAL 239 Cb -0.19 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.82 3djc s VAL 239 CO 0.11 -0.55 1.71 -0.65 0.00 0.00 0.00 175.10 175.72 3djc h PRO 240 N 8.28 0.65 -0.90 2.72 0.11 -1.94 -3.28 132.00 137.64 3djc h PRO 240 Ca -0.20 -0.22 -0.61 0.00 0.11 0.00 0.00 66.00 65.08 3djc h PRO 240 Cb 1.07 -0.05 -0.37 0.00 0.11 0.00 0.00 31.00 31.76 3djc h PRO 240 CO 0.73 0.78 -0.11 -0.25 -0.21 0.00 0.00 178.00 178.95 3djc n ASP 241 N -4.15 6.08 -0.13 -2.05 10.43 -1.26 -4.57 116.55 120.89 3djc n ASP 241 Ca 0.01 -3.77 -0.03 0.00 2.57 0.00 0.00 54.79 53.57 3djc n ASP 241 Cb 0.38 -0.61 0.19 0.00 1.84 0.00 0.00 41.12 42.91 3djc n ASP 241 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3djc h LEU 242 N 2.14 0.78 0.32 0.64 5.85 -1.98 -2.29 115.31 120.77 3djc h LEU 242 Ca 0.47 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3djc h LEU 242 Cb 1.20 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3djc h LEU 242 CO 1.11 0.76 -0.15 1.62 -0.34 0.00 0.00 178.44 181.44 3djc h VAL 243 N 0.81 0.71 -0.27 1.05 3.04 -1.89 -2.58 116.25 117.11 3djc h VAL 243 Ca 0.18 -0.41 -0.05 0.00 -1.01 0.00 0.00 66.70 65.41 3djc h VAL 243 Cb 0.29 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 3djc h VAL 243 CO -0.00 0.08 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.53 3djc h LEU 244 N -0.65 0.39 -0.07 3.16 3.38 -1.93 0.99 115.31 120.58 3djc h LEU 244 Ca -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3djc h LEU 244 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3djc h LEU 244 CO 0.07 0.49 0.03 1.56 0.09 0.00 0.00 178.44 180.68 3djc h GLN 245 N 0.40 0.07 0.00 1.13 4.20 -1.46 -2.34 115.11 117.10 3djc h GLN 245 Ca 0.09 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3djc h GLN 245 Cb 0.34 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3djc h GLN 245 CO 0.01 0.04 -0.34 0.78 -0.67 0.00 0.00 178.83 178.66 3djc h GLY 246 N 0.07 0.00 0.76 3.46 0.00 -0.85 -0.71 103.07 105.80 3djc h GLY 246 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3djc h GLY 246 CO -0.02 0.00 -0.17 -2.22 0.00 0.00 0.00 176.54 174.13 3djc h ILE 247 N 0.00 1.35 -0.78 2.60 2.04 -0.80 -2.59 117.51 119.32 3djc h ILE 247 Ca -0.00 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3djc h ILE 247 Cb 0.72 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 3djc h ILE 247 CO 0.04 0.40 0.31 -0.09 0.00 0.00 0.00 178.15 178.81 3djc h ARG 248 N 0.02 1.16 -0.73 2.37 2.43 -1.27 -0.91 114.38 117.45 3djc h ARG 248 Ca 0.02 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 3djc h ARG 248 Cb 0.70 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3djc h ARG 248 CO 0.04 0.94 0.27 -0.07 -1.51 0.00 0.00 179.97 179.64 3djc h LEU 249 N 1.13 1.02 -0.52 3.80 4.07 -1.18 -1.03 115.31 122.60 3djc h LEU 249 Ca 0.26 -0.17 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 3djc h LEU 249 Cb 0.21 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3djc h LEU 249 CO -0.02 0.93 -0.74 0.00 -1.08 0.00 0.00 178.44 177.53 3djc h ALA 250 N 1.21 0.77 -0.23 1.53 0.00 -1.24 -1.70 119.26 119.61 3djc h ALA 250 Ca 0.24 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3djc h ALA 250 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3djc h ALA 250 CO -0.02 0.91 0.06 0.00 0.00 0.00 0.00 179.25 180.21 3djc h ALA 251 N 1.25 0.31 -0.67 0.00 0.00 -0.96 -2.89 119.26 116.30 3djc h ALA 251 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3djc h ALA 251 Cb 1.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3djc h ALA 251 CO 0.10 -0.04 0.43 1.98 0.00 0.00 0.00 179.25 181.72 3djc h MET 252 N 0.20 0.83 0.00 0.00 -1.53 -1.12 -2.35 114.93 110.96 3djc h MET 252 Ca 0.07 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 3djc h MET 252 Cb 0.28 -0.19 -0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3djc h MET 252 CO 0.00 0.55 -0.06 0.52 0.14 0.00 0.00 176.91 178.05 3djc h MET 253 N 0.85 0.00 -0.07 0.39 2.86 -1.24 -3.13 114.93 114.58 3djc h MET 253 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3djc h MET 253 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3djc h MET 253 CO -0.09 0.06 0.00 0.09 1.06 0.00 0.00 176.91 178.03 3djc n ASN 254 N -3.87 2.28 -0.67 1.22 3.02 -1.04 -4.92 115.26 111.28 3djc n ASN 254 Ca -0.03 -2.17 0.08 0.00 -0.03 0.00 0.00 54.58 52.44 3djc n ASN 254 Cb 0.16 -0.11 0.07 0.00 -0.61 0.00 0.00 39.78 39.28 3djc n ASN 254 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71